Name: Name:Benzoic acid, 3-(2H-tetrazol-5-yl)-, methyl ester
Brand: Angene
SKU: AG001FMG
Rating: 90 (10 reviews)

Benzoic acid, 3-(2H-tetrazol-5-yl)-, methyl ester

CAS No.:

148345-63-5

Catalog Number:

AG001FMG

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

Catalog Number:

AG001FMG

Chemical Name:

Benzoic acid, 3-(2H-tetrazol-5-yl)-, methyl ester

CAS Number:

148345-63-5

Molecular Formula:

C9H8N4O2

Molecular Weight:

204.1854

MDL Number:

MFCD20134211

IUPAC Name:

methyl 3-(2H-tetrazol-5-yl)benzoate

InChI:

InChI=1S/C9H8N4O2/c1-15-9(14)7-4-2-3-6(5-7)8-10-12-13-11-8/h2-5H,1H3,(H,10,11,12,13)

InChI Key:

XHDHEDITROOBDC-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc(c1)c1nn[nH]n1

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.189g/mol

Monoisotopic Mass:

204.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: